Geometry & MOs

Info

ID:	136565
PubChem CID:	52065007
Reduced:	SO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	43.37
Dipole, Da:	11.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.968561
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NC2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)C

DOS

IR

Vibrations